1,4-dimethyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]benzene

C18H17F3 — CID 56834514

IUPAC1,4-dimethyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]benzene
SMILESCc1ccc(C)c(C/C=C/c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H17F3/c1-13-6-7-14(2)16(12-13)5-3-4-15-8-10-17(11-9-15)18(19,20)21/h3-4,6-12H,5H2,1-2H3/b4-3+
InChIKeyHIQHATNUQXUFIG-ONEGZZNKSA-N
MW290.33 g/mol
LogP5.58
Rot. Bonds3

About 1,4-dimethyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]benzene

1,4-dimethyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]benzene (PubChem CID 56834514) has the molecular formula C18H17F3 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1,4-dimethyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]benzene
PubChem CID56834514
Molecular FormulaC18H17F3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name1,4-dimethyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]benzene
SMILESCc1ccc(C)c(C/C=C/c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H17F3/c1-13-6-7-14(2)16(12-13)5-3-4-15-8-10-17(11-9-15)18(19,20)21/h3-4,6-12H,5H2,1-2H3/b4-3+
InChIKeyHIQHATNUQXUFIG-ONEGZZNKSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.33
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]benzene?
The IUPAC name of 1,4-dimethyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]benzene (CID 56834514) is 1,4-dimethyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]benzene.
What is the SMILES notation for 1,4-dimethyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]benzene?
The canonical SMILES for 1,4-dimethyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]benzene is Cc1ccc(C)c(C/C=C/c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1,4-dimethyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]benzene?
The InChIKey is HIQHATNUQXUFIG-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H17F3/c1-13-6-7-14(2)16(12-13)5-3-4-15-8-10-17(11-9-15)18(19,20)21/h3-4,6-12H,5H2,1-2H3/b4-3+.
What are the key properties of 1,4-dimethyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]benzene?
1,4-dimethyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]benzene has a molecular weight of 290.33 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]benzene is sourced from PubChem (CID 56834514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).